Add caching for dependencies and pip to CI

.github/workflows/ci.yml

@@ -146,6 +146,58 @@ jobs:
           sudo update-alternatives --set mpirun /usr/bin/mpirun.mpich
           sudo update-alternatives --set mpi-x86_64-linux-gnu /usr/include/x86_64-linux-gnu/mpich
 
+      - name: cache-xs
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/nndc_hdf5
+            ~/endf-b-vii.1
+          key: ${{ runner.os }}-build-xs-cache-${{ hashFiles(format('{0}/tools/ci/download-xs.sh', github.workspace)) }}
+
+      - name: Get dependency cache keys and mpi-dep versions
+        shell: bash
+        run: $GITHUB_WORKSPACE/tools/ci/gha-cache-keys.sh
+
+      - name: Restore pip cache according to mpi-deps
+        uses: actions/cache@v6
+        with:
+          path: ~/.cache/pip
+          key: pip-${{ runner.os }}-py${{ matrix.python-version }}-mpi-${{ matrix.mpi }}-${{ hashFiles(format('tools/ci/requirements-mpi-{0}.txt', matrix.mpi)) }}-${{ hashFiles('tools/ci/mpi-deps.txt') }}
+
+
+      - name: Restore NJOY2016
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/NJOY2016/metaconfigure
+            ~/NJOY2016/build/njoy
+            ~/NJOY2016/build/libnjoy.so
+          key: NJOY2016-${{ env.NJOY_HASH }} 
+
+      - name: Restore MOAB
+        if: ${{ matrix.dagmc == 'y' }}
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/MOAB
+          key: MOAB-${{ env.MOAB_HASH }}
+
+      - name: Restore DAGMC
+        if: ${{ matrix.dagmc == 'y' }}
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/DAGMC
+          key: DAGMC-${{ env.DAGMC_HASH }}
+
+      - name: Restore libmesh
+        if: ${{ matrix.libmesh == 'y' }} 
+        uses: actions/cache@v6
+        with:
+          path: |
+            ~/LIBMESH
+          key: libmesh-mpi-${{matrix.mpi}}-${{ env.LB_HASH }} 
+
       - name: install
         shell: bash
         run: |
@@ -154,16 +206,7 @@ jobs:
 
       - name: display-config
         shell: bash
-        run: |
-          openmc -v
-
-      - name: cache-xs
-        uses: actions/cache@v5
-        with:
-          path: |
-            ~/nndc_hdf5
-            ~/endf-b-vii.1
-          key: ${{ runner.os }}-build-xs-cache-${{ hashFiles(format('{0}/tools/ci/download-xs.sh', github.workspace)) }}
+        run: openmc -v
 
       - name: before
         shell: bash
@@ -174,13 +217,13 @@ jobs:
         run: |
           CTEST_OUTPUT_ON_FAILURE=1 make test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
-
+ 
       - name: Setup tmate debug session
         continue-on-error: true
         if: ${{ failure() && contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
         uses: mxschmitt/action-tmate@v3
         timeout-minutes: 10
-
+ 
       - name: Generate C++ coverage (gcovr)
         shell: bash
         run: |
@@ -198,13 +241,13 @@ jobs:
             --merge-mode-functions=separate \
             --print-summary \
             --lcov -o coverage-cpp.lcov || true
-
+ 
       - name: Merge C++ and Python coverage
         shell: bash
         run: |
           # Merge C++ and Python LCOV into a single file for upload
           cat coverage-cpp.lcov coverage-python.lcov > coverage.lcov
-
+ 
       - name: Upload coverage to Coveralls
         if: ${{ hashFiles('coverage.lcov') != '' }}
         uses: coverallsapp/github-action@v2
@@ -214,7 +257,7 @@ jobs:
           flag-name: C++ and Python
           path-to-lcov: coverage.lcov
           fail-on-error: false
-
+ 
   coverage:
     needs: [filter-changes, main]
     if: ${{ always() }}
@@ -227,7 +270,7 @@ jobs:
           github-token: ${{ secrets.GITHUB_TOKEN }}
           parallel-finished: true
           fail-on-error: false
-
+ 
   ci-pass:
     needs: [filter-changes, main, coverage]
     name: Check CI status

tools/ci/gha-cache-keys.sh

@@ -0,0 +1,29 @@
+#!/bin/bash
+set -ex
+
+echo "NJOY_HASH=$(git ls-remote https://github.com/njoy/NJOY2016.git HEAD \
+    --tags 2016.78 | head -c 15)" >> $GITHUB_ENV
+
+if [[ "$DAGMC" == 'y' ]]; then
+    echo "MOAB_HASH=$(git ls-remote https://bitbucket.org/fathomteam/moab.git \
+    --tags Version5.1.0 | head -c 15)" >> $GITHUB_ENV
+
+    echo "DAGMC_HASH=$(git ls-remote https://github.com/svalinn/dagmc.git HEAD |\
+    head -c 15)" >> $GITHUB_ENV
+fi
+
+if [[ "$LIBMESH" == 'y' ]]; then
+    echo "LB_HASH=$(git ls-remote https://github.com/libmesh/libmesh \
+    --tags v1.7.1 | head -c 15)" >> $GITHUB_ENV
+fi
+
+if [[ "$MPI" == 'y' ]]; then
+    dpkg-query -W libmpich-dev libhdf5-mpich-dev > $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    cat $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/requirements-mpi-y.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+else
+    touch $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/requirements-mpi-n.txt
+    sha256sum $GITHUB_WORKSPACE/tools/ci/mpi-deps.txt
+fi

tools/ci/gha-install-libmesh.sh

@@ -17,5 +17,7 @@ else
 fi
 make -j4 install
 rm -rf $HOME/LIBMESH/build
+rm -rf $HOME/LIBMESH/libmesh
+rm -rf $HOME/LIBMESH/examples
 
 popd

tools/ci/gha-install-njoy.sh

@@ -5,3 +5,4 @@ git clone -b 2016.78 https://github.com/njoy/NJOY2016
 cd NJOY2016
 mkdir build && cd build
 cmake -Dstatic=on .. && make 2>/dev/null && sudo make install
+rm -rf $HOME/NJOY2016/build

tools/ci/gha-install.sh

@@ -7,28 +7,34 @@ pip install --upgrade pytest
 pip install --upgrade numpy
 
 # Install NJOY 2016
-./tools/ci/gha-install-njoy.sh
+if [[ ! -d "$HOME/NJOY2016" ]]; then
+    ./tools/ci/gha-install-njoy.sh
+fi
 
 # Install DAGMC if needed
-if [[ $DAGMC = 'y' ]]; then
-    ./tools/ci/gha-install-dagmc.sh
+if [[ "$DAGMC" == "y" ]]; then
+    if [[ ! -d "$HOME/DAGMC" ]] || [[ ! -d "$HOME/MOAB" ]]; then
+        ./tools/ci/gha-install-dagmc.sh
+    fi
 fi
 
 # Install NCrystal and verify installation
 pip install 'ncrystal>=4.1.0'
 nctool --test
 
 # Install libMesh if needed
-if [[ $LIBMESH = 'y' ]]; then
-    ./tools/ci/gha-install-libmesh.sh
+if [[ "$LIBMESH" == "y" ]]; then
+    if [[ ! -d "$HOME/LIBMESH" ]]; then
+        ./tools/ci/gha-install-libmesh.sh
+    fi
 fi
 
 # Install MCPL
 pip install mcpl
 
 # For MPI configurations, make sure mpi4py and h5py are built against the
 # correct version of MPI
-if [[ $MPI == 'y' ]]; then
+if [[ "$MPI" == "y" ]]; then
     pip install --no-binary=mpi4py mpi4py
 
     export CC=mpicc

tools/ci/requirements-mpi-n.txt

@@ -0,0 +1,18 @@
+# requirements-mpi-n.txt
+numpy
+h5py
+scipy
+ipython
+matplotlib
+pandas
+lxml
+uncertainties
+endf
+packaging
+pytest
+pytest-cov>=4.0
+pytest-rerunfailures
+colorama
+openpyxl
+coverage>=7.4
+gcovr>=7.2

tools/ci/requirements-mpi-y.txt

@@ -0,0 +1,7 @@
+# requirements-mpi-y.txt
+-r requirements-mpi-n.txt
+mpi4py
+setuptools
+Cython
+pkgconfig
+h5py